October 2021 newsletter
Posted
by Rachel Cliffe
on
A roundup of computational chemistry news from Cresset in October.
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Prioritize the best molecules in drug discovery using Spark™ and Flare™ FEP
Posted by Jenny Brookes onFree Energy Perturbation (FEP) methods enjoy a strong reputation for delivering reliable and robust binding affinity predictions for small molecule ...
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September 2021 newsletter
Posted by Rachel Cliffe onA roundup of September's computational chemistry news from Cresset.
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Optimizing the docking pathway in Spark™: Find novel results by computing ligand-protein interactions directly from the active site
Posted by Mark Mackey onFind novel bioisosteres with Spark Spark is a bioisostere replacement solution that enables drug discovery research chemists to generate highly innovative ...
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Cresset Discovery Services enters collaboration with the University of Newcastle, Australia, to repurpose therapeutics against oncology targets
Posted by Rachel Cliffe onCambridge, UK – 14 September 2021 – Cresset Discovery Services, provider of contract research services for early phase of drug ...
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August 2021 newsletter
Posted by Rachel Cliffe onA roundup of this month's computational chemistry news from Cresset.
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Enhance your discovery project performance by integrating Flare™ with external systems using the Python™ API
Posted by Tim Cheeseright onThe Flare Python API enables computational chemists to automate common tasks in the GUI and access Flare science from the ...
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Review of Scientific Computing World ‘Streamlining drug discovery’ article
Posted by Rachel Cliffe onDrug discovery is an increasingly complex process with significant time and costs needed to develop a new drug from hypothesis ...
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The search for a better charge model
Posted by Peter Cherry onProtein-ligand binding affinity is one of the most useful metrics for predicting drug activity. Techniques for estimating binding affinity are ...
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July 2021 newsletter
Posted by Rachel Cliffe onFlare™ FEP: Competitively combining speed and accuracy with ease of use Free Energy Perturbation (FEP) calculations can have the reputation to be ...
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Flare™ FEP: Competitively combining speed and accuracy with ease of use
Posted by Jenny Brookes onFree Energy Perturbation (FEP) calculations arm the drug hunter with highly accurate binding affinity predictions for ligands. This accuracy can ...
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OncoArendi licenses Cresset molecule design software to advance the development of new therapeutics
Posted by Rachel Cliffe onCambridge, UK – 21 July 2021 – Cresset, innovative provider of outstanding software for molecule discovery and design, is pleased ...